4-[[2-(1H-indol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol

C20H22N6O — CID 59276406

IUPAC4-[[2-(1H-indol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cccc3nc(Nc4ccc5[nH]ccc5c4)nn23)CC1
InChIInChI=1S/C20H22N6O/c27-16-7-4-14(5-8-16)22-18-2-1-3-19-24-20(25-26(18)19)23-15-6-9-17-13(12-15)10-11-21-17/h1-3,6,9-12,14,16,21-22,27H,4-5,7-8H2,(H,23,25)
InChIKeyBMXGRXHLPPTZKU-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.67
Rot. Bonds4

About 4-[[2-(1H-indol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol

4-[[2-(1H-indol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol (PubChem CID 59276406) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-[[2-(1H-indol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(1H-indol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol
PubChem CID59276406
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name4-[[2-(1H-indol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cccc3nc(Nc4ccc5[nH]ccc5c4)nn23)CC1
InChIInChI=1S/C20H22N6O/c27-16-7-4-14(5-8-16)22-18-2-1-3-19-24-20(25-26(18)19)23-15-6-9-17-13(12-15)10-11-21-17/h1-3,6,9-12,14,16,21-22,27H,4-5,7-8H2,(H,23,25)
InChIKeyBMXGRXHLPPTZKU-UHFFFAOYSA-N
XLogP3.67
TPSA90.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(1H-indol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-[[2-[(1-methylindazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol
CID 59276639
trans-(1S,3S)-3-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclopentan-1-ol
CID 67294213
ethyl 3-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate
CID 67294184
diethyl 2-[3-amino-5-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]propanedioate
CID 68587926
2-N-(1H-indazol-6-yl)-5-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen
CID 161420234
4-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1,6-dimethyl-3H-indol-2-one
CID 67293251
cis-(1R,3S)-3-[[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]cyclopentan-1-ol
CID 46183283
2-N-(3-methyl-2H-indazol-6-yl)-5-N-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine;molecular hydrogen
CID 160871056
4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]oxolan-3-ol
CID 67293668
3,3-dimethyl-6-[[5-[[(3S)-piperidin-3-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one;dihydrochloride
CID 121282042
ethyl 4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexane-1-carboxylate;2-[4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]propan-2-ol
CID 121282014
[(1S,2S)-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]methanol
CID 71179695

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1H-indol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(1H-indol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol (CID 59276406) is 4-[[2-(1H-indol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(1H-indol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(1H-indol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2cccc3nc(Nc4ccc5[nH]ccc5c4)nn23)CC1.
What is the InChIKey of 4-[[2-(1H-indol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol?
The InChIKey is BMXGRXHLPPTZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-16-7-4-14(5-8-16)22-18-2-1-3-19-24-20(25-26(18)19)23-15-6-9-17-13(12-15)10-11-21-17/h1-3,6,9-12,14,16,21-22,27H,4-5,7-8H2,(H,23,25).
What are the key properties of 4-[[2-(1H-indol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol?
4-[[2-(1H-indol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol has a molecular weight of 362.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1H-indol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 59276406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).